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8CME
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BU of 8cme by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMB
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Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMD
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BU of 8cmd by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775
分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMH
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BU of 8cmh by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMC
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BU of 8cmc by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMG
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BU of 8cmg by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434
分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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Crystal structure of monoalkyl phthalate hydrolase MehpH
分子名称: Monoethylhexylphthalate hydrolase
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.30006242 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
7Y1F
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BU of 7y1f by Molmil
Cryo-EM structure of human k-opioid receptor-Gi complex
分子名称: Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, B.O, Xu, F.E.
登録日2022-06-08
公開日2023-05-24
最終更新日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
8OGX
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BU of 8ogx by Molmil
Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794
分子名称: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum
著者Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
登録日2023-03-20
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHT
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BU of 8oht by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B
分子名称: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHU
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BU of 8ohu by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine
分子名称: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8X61
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BU of 8x61 by Molmil
Cryo-EM structure of ATP-bound FtsE(E163Q)X
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX
著者Zhang, Z.Y, Chen, Y.T.
登録日2023-11-20
公開日2024-05-08
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division.
Plos Biol., 22, 2024
8OHX
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BU of 8ohx by Molmil
Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor
分子名称: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHQ
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BU of 8ohq by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B
分子名称: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHV
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BU of 8ohv by Molmil
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
分子名称: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHR
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BU of 8ohr by Molmil
Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor
分子名称: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
8OHW
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BU of 8ohw by Molmil
Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor
分子名称: (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein
著者Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2023-03-21
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
著者Chen, Y.Q, Gan, J.H.
登録日2019-07-16
公開日2020-06-03
実験手法X-RAY DIFFRACTION (3.008 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
6IZH
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BU of 6izh by Molmil
Crystal structure of deaminase AmnE from Pseudomonas sp. AP-3
分子名称: 2-aminomuconate deaminase, MAGNESIUM ION
著者Chen, Y.J, Chen, Y.P, Su, D.
登録日2018-12-19
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献A Unique Homo-Hexameric Structure of 2-Aminomuconate Deaminase in the BacteriumPseudomonas species AP-3.
Front Microbiol, 10, 2019
4P5U
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BU of 4p5u by Molmil
Crystal structure of TatD
分子名称: Tat-linked quality control protein TatD
著者Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
登録日2014-03-20
公開日2014-08-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
4PE8
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BU of 4pe8 by Molmil
Crystal structure of TatD in complex with trinucleotide DNA
分子名称: DNA (5'-D(*GP*CP*T)-3'), Tat-linked quality control protein TatD
著者Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
登録日2014-04-23
公開日2014-08-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
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The crystal structure of AsfvLIG:CT2 complex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019

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